>compound S-(5'-Adenosyl)-L-methionine_S-(5'-Adenosyl)-L-methionine
#instrument UPLC Q-Tof Premier, Waters
>formula C15H22N6O5S
#smiles [O-1]C(=O)C(N)CC[S+1](C)CC(O1)C(O)C(O)C1n(c3)c(n2)c(n3)c(N)nc2
#RECORD LC-ESI-QTOF_train_data/PR100378.txt;LC-ESI-QTOF_train_data/PR100076.txt
>charge 1
>ionization [M+H]+
>parentmass 399.14503

>collision 5-60
97.0286 59.45
102.055 27.07
136.063 78.77
250.0945 89.95
298.0972 21.35
399.145 21.71

>collision 5-60
250.0971 2.466
398.6728 1.153
398.843 0.9425
398.9208 1.07
399.0087 1.87
399.0478 1.811
399.1472 17.69
400.1519 1.209

